Project name: faac8904739b655

Chain sequence(s)	A: GKITLYEDRGFQGRHYECSSDHPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEIHSLNVLEGSWVLYELSNYRGREYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -4.6524
• Maximal score value: 1.5618
• Average score: -1.1993
• Total score value: -207.4843

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	G	A	-1.5315
2	K	A	-2.5345
3	I	A	0.0000
4	T	A	0.0000
5	L	A	0.0000
6	Y	A	-2.0878
7	E	A	0.0000
8	D	A	-2.7114
9	R	A	-2.6151
10	G	A	-1.7701
11	F	A	-1.8081
12	Q	A	-2.5720
13	G	A	-2.6275
14	R	A	-2.7444
15	H	A	-2.3234
16	Y	A	-1.4009
17	E	A	-2.3102
18	C	A	-1.5530
19	S	A	-1.4291
20	S	A	-1.3856
21	D	A	-1.5834
22	H	A	0.0000
23	P	A	-1.5337
24	N	A	-1.5238
25	L	A	0.0000
26	Q	A	-1.7083
27	P	A	-0.5520
28	Y	A	-0.4616
29	L	A	0.0000
30	S	A	-1.4336
31	R	A	-2.1174
32	C	A	0.0000
33	N	A	0.0000
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.8530
37	V	A	0.0000
38	D	A	-3.1137
39	S	A	-1.7014
40	G	A	-1.0071
41	C	A	0.0000
42	W	A	0.0000
43	M	A	0.0000
44	L	A	0.0000
45	Y	A	0.0000
46	E	A	-1.1061
47	Q	A	-1.5599
48	P	A	-1.5940
49	N	A	-1.6278
50	Y	A	-1.0154
51	S	A	-0.8732
52	G	A	-0.8401
53	L	A	-0.0719
54	Q	A	-0.1318
55	Y	A	0.0000
56	F	A	0.1399
57	L	A	0.0000
58	R	A	-1.1753
59	R	A	-2.0535
60	G	A	-2.2852
61	D	A	-2.9079
62	Y	A	-2.0410
63	A	A	-2.0220
64	D	A	-2.1511
65	H	A	-1.7240
66	Q	A	-1.8349
67	Q	A	-2.0204
68	W	A	0.0000
69	M	A	-0.6378
70	G	A	-0.6036
71	L	A	0.3231
72	S	A	-0.6871
73	D	A	-2.0351
74	S	A	-1.4639
75	V	A	0.0000
76	R	A	-1.6579
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-0.9806
80	L	A	-0.6921
81	I	A	0.0000
82	P	A	-0.6576
83	H	A	-0.9381
84	S	A	-1.0581
85	G	A	-0.8706
86	S	A	-1.3495
87	H	A	0.0000
88	R	A	-2.5465
89	I	A	0.0000
90	R	A	-1.2236
91	L	A	0.0000
92	Y	A	-1.7429
93	E	A	0.0000
94	R	A	-4.0607
95	E	A	-4.3667
96	D	A	-3.5261
97	Y	A	-2.7956
98	R	A	-3.4422
99	G	A	-2.4722
100	Q	A	-1.7108
101	M	A	-0.5716
102	I	A	-0.6982
103	E	A	-1.8052
104	F	A	0.0000
105	T	A	-2.2972
106	E	A	-2.8554
107	D	A	-2.0686
108	C	A	0.0000
109	S	A	-1.2537
110	C	A	-1.2071
111	L	A	0.0000
112	Q	A	-2.6156
113	D	A	-3.1814
114	R	A	-3.1296
115	F	A	0.0000
116	R	A	-3.0830
117	F	A	-1.9793
118	N	A	-2.0604
119	E	A	-2.1398
120	I	A	0.0000
121	H	A	-3.2162
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.5932
125	V	A	0.0000
126	L	A	-1.1553
127	E	A	-1.7755
128	G	A	-1.2614
129	S	A	0.0000
130	W	A	0.0000
131	V	A	0.0000
132	L	A	0.0000
133	Y	A	0.0000
134	E	A	-1.3243
135	L	A	-0.8038
136	S	A	-0.9415
137	N	A	-1.6772
138	Y	A	-1.4247
139	R	A	-2.1350
140	G	A	-1.1969
141	R	A	-1.0357
142	E	A	0.0000
143	Y	A	0.0495
144	L	A	0.3086
145	L	A	0.0000
146	M	A	-0.0496
147	P	A	-0.8420
148	G	A	-1.4264
149	D	A	-2.6898
150	Y	A	-3.0859
151	R	A	-4.6524
152	R	A	-4.5493
153	Y	A	-2.8057
154	Q	A	-2.9985
155	D	A	-3.4396
156	W	A	0.0000
157	G	A	-1.8424
158	A	A	0.0000
159	T	A	-0.8582
160	N	A	-1.3520
161	A	A	-1.5829
162	R	A	-1.5993
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.3706
168	R	A	-1.4224
169	V	A	0.0000
170	I	A	0.1025
171	D	A	0.3013
172	F	A	1.5618
173	S	A	0.3312